5WQH

Structure of fungal meroterpenoid isomerase Trt14 complexed with substrate analog and endo-terretonin D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2015-11-30
Detector	ADSC QUANTUM 270
Wavelength(s)	1.00
Spacegroup name	P 1 21 1
Unit cell lengths	99.340, 47.230, 121.090
Unit cell angles	90.00, 107.95, 90.00

Refinement procedure

Resolution	47.252 - 2.102
R-factor	0.2006
Rwork	0.198
R-free	0.25040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wqf
RMSD bond length	0.008
RMSD bond angle	1.148
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.230
High resolution limit [Å]	2.100	2.100
Rmerge	0.070	0.545
Number of reflections	62097
<I/σ(I)>	10.9	1.93
Completeness [%]	98.5	93.5
Redundancy	3.64
CC(1/2)		0.787

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100mM Imidazole (pH 8.0), 10% PEG 8000, 100mM Ca(OAc)2, 2% 1-propanol